(3S)-1-(3-aminophenyl)-3-azanyl-4-(1H-imidazol-5-yl)butan-2-one

Systemtic Name: (3S)-1-(3-aminophenyl)-3-azanyl-4-(1H-imidazol-5-yl)butan-2-one Openeye Name: (3S)-3-amino-1-(3-aminophenyl)-4-(1H-imidazol-5-yl)butan-2-one CAS Name: (3S)-3-amino-1-(3-aminophenyl)-4-(1H-imidazol-5-yl)-2-butanone IUPAC Name: (3S)-3-amino-1-(3-aminophenyl)-4-(1H-imidazol-5-yl)butan-2-one Traditional Name: (3S)-3-amino-1-(3-aminophenyl)-4-(1H-imidazol-5-yl)butan-2-one Formula: C13H16N4O MolecularWeight: 244.29234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CC(=O)C(CC2=CN=CN2)N

Isomeric SMILES

C1=CC(=CC(=C1)N)CC(=O)[C@H](CC2=CN=CN2)N

InChI

InChI=1S/C13H16N4O/c14-10-3-1-2-9(4-10)5-13(18)12(15)6-11-7-16-8-17-11/h1-4,7-8,12H,5-6,14-15H2,(H,16,17)/t12-/m0/s1